(2S,3R,4S,5R)-2-[4-[(3-Nitrophenyl)Methyl]Phenoxy]Oxane-3,4,5-Triol
[CAS# 99482-86-7]

Identification

• Name: (2S,3R,4S,5R)-2-[4-[(3-Nitrophenyl)Methyl]Phenoxy]Oxane-3,4,5-Triol
• Synonyms: (2S,3R,4S,5R)-2-[4-[(3-Nitrophenyl)Methyl]Phenoxy]Tetrahydropyran-3,4,5-Triol; (2S,3R,4S,5R)-2-[4-(3-Nitrobenzyl)Phenoxy]Tetrahydropyran-3,4,5-Triol; 4-((3-Nitrophenyl)Methyl)Phenyl-Beta-D-Xylopyranoside
• Molecular Formula: C₁₈H₁₉NO₇
• Molecular Weight: 361.35
• CAS Registry Number: 99482-86-7
• SMILES: [C@@H]3(OC2=CC=C(CC1=CC=CC(=C1)[N+]([O-])=O)C=C2)OC[C@@H](O)[C@H](O)[C@H]3O
• InChI: 1S/C18H19NO7/c20-15-10-25-18(17(22)16(15)21)26-14-6-4-11(5-7-14)8-12-2-1-3-13(9-12)19(23)24/h1-7,9,15-18,20-22H,8,10H2/t15-,16+,17-,18+/m1/s1
• InChIKey: FAWBZBIXFCVRGY-XDNAFOTISA-N

Properties

• Density: 1.45g/cm³ (Cal.)
• Boiling point: 596.186°C at 760 mmHg (Cal.)
• Flash point: 314.362°C (Cal.)